3-[2-(1,2-dihydroacenaphthylen-5-yl)-1,3-thiazolidine-3-carbonyl]-4a,8a-dihydro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[2-(1,2-dihydroacenaphthylen-5-yl)-1,3-thiazolidine-3-carbonyl]-4a,8a-dihydro-2H-1-benzopyran-2-one
3-[2-(1,2-dihydroacenaphthylen-5-yl)-1,3-thiazolidine-3-carbonyl]-4a,8a-dihydro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8010-1179 |
| Compound Name: | 3-[2-(1,2-dihydroacenaphthylen-5-yl)-1,3-thiazolidine-3-carbonyl]-4a,8a-dihydro-2H-1-benzopyran-2-one |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C25 H21 N O3 S |
| Smiles: | C1Cc2ccc(C3N(CCS3)C(C3=CC4C=CC=CC4OC3=O)=O)c3cccc1c23 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2118 |
| logD: | 5.2118 |
| logSw: | -5.8557 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.113 |
| InChI Key: | HEPBFKUCIJPUDJ-UHFFFAOYSA-N |